2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide

C13H14N2O3S — CID 55735719

IUPAC2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nccs2)c(OC)c1
InChIInChI=1S/C13H14N2O3S/c1-17-9-3-4-10(11(7-9)18-2)13(16)15-8-12-14-5-6-19-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyBWHKFXMYRPWRBS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds5

About 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide

2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 55735719) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID55735719
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nccs2)c(OC)c1
InChIInChI=1S/C13H14N2O3S/c1-17-9-3-4-10(11(7-9)18-2)13(16)15-8-12-14-5-6-19-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyBWHKFXMYRPWRBS-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
CID 9480532
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 55735719) is 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide is COc1ccc(C(=O)NCc2nccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is BWHKFXMYRPWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-9-3-4-10(11(7-9)18-2)13(16)15-8-12-14-5-6-19-12/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide?
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 278.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 55735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).